Trifluoroacetic acid → HCID 67249617, compound

HRID 1035323Notes

Reaction equation

HRID 1035323 reaction equation
FC(F)(F)C(O)=O.Br[C:9]1[CH:14]=[CH:13][CH:12]=[CH:11][C:10]=1F.BrC1C=CC(C)=CC=1F.C([N:32]1[CH2:37][CH2:36][NH:35][C@@H:34]([CH2:38][CH2:39][OH:40])[CH2:33]1)C1C=CC=CC=1>>[CH2:36]1[N:35]2[C@H:34]([CH2:38][CH2:39][O:40][C:9]3[CH:14]=[CH:13][CH:12]=[CH:11][C:10]=32)[CH2:33][NH:32][CH2:37]1

Participants

5

Reactant 4

HCID 6422Trifluoroacetic acidHCID 612591-Bromo-2-fluorobenzeneHCID 5732804-Bromo-3-fluorotolueneHCID 23395653(S)-2-(4-benzylpiperazin-2-yl)ethanol

Product 1

HCID 67249617HCID 67249617, compound

Procedure

The title compound was prepared as the trifluoroacetic acid salt according to the procedure outlined in Example 133 substituting 1-bromo-2-fluorobenzene for 1-bromo-2-fluoro-4-methylbenzene and Example 255E for (S)-2-(4-benzylpiperazin-2-yl)ethanol. 1H NMR (300 MHz, DMSO-d6) δ ppm 6.85-7.05 (m, 3H), 6.74-6.85 (m, 1H), 4.29-4.45 (m, 1H), 4.01-4.16 (m, 1H), 3.21-3.48 (m, 4H), 2.89-3.21 (m, 3H), 1.87-2.14 (m, 2H); MS (ESI) m/z 223 (M+H)+.

Sources & evidence

ORD record
ord-096f7621840d405f8bbf72f3343a85b7
Source dataset
uspto-grants-2013_10
Patent number
US08546377B2

Reaction notes

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